MolNFT v1 · #188318 · protein
Crystal structure of shikimate-3-phosphate bound 3-phosphoshikimate 1- carboxyvinyltransferase from klebsiella pneumoniae
7TM5 · 3-phosphoshikimate 1-carboxyvinyltransferase: “Crystal structure of shikimate-3-phosphate bound 3-phosphoshikimate 1- carboxyvinyltransferase from…”. X-ray diffraction, 3 ligands (S3P, PO4, NO3), 6 pockets (best druggability 0.76).…
- PDB
- 7TM5
- Type
- protein
- Length
- 853 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-phosphoshikimate 1-carboxyvinyltransferase
- EC
- 2.5.1.19
- UniProt
- A0A0H3GV01
- Ligands
- S3P, PO4, NO3
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-phosphoshikimate 1-carboxyvinyltransferase (EC 2.5.1.19) | protein | 426 | 36% helix, 26% strand | A0A0H3GV01 |
| B | 3-phosphoshikimate 1-carboxyvinyltransferase (EC 2.5.1.19) | protein | 427 | 35% helix, 27% strand | A0A0H3GV01 |
Ligands and binding sites
- S3P · Shikimate-3-phosphate · ligand · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
- NO3 · Nitrate ion · ion · chains A
- FMT · Formic acid · additive · 3 copies · chains A, B
- 1PE · Pentaethylene glycol · additive · 3 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 93 | 0.76 | 0.98 | 31 | S3P, FMT, PO4 |
| 2 | 93 | 0.75 | 0.97 | 32 | S3P, PO4 |
| 3 | 332 | 0.51 | 0.73 | 41 | empty |
| 4 | 57 | 0.30 | 0.75 | 17 | empty |
| 5 | 60 | 0.30 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 170 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7TM5 · Crystal structure of shikimate-3-phosphate bound 3-phosphoshikimate… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt A0A0H3GV01
- Elsewhere: RCSB PDB 7TM5 · PDBe 7TM5 · UniProt A0A0H3GV01
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